5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

C22H25N5O2 — CID 53300745

IUPAC5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2(C)c2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C22H25N5O2/c1-15-6-5-7-16(2)20(15)27-21(23-24-25-27)22(3)13-12-19(28)26(22)14-17-8-10-18(29-4)11-9-17/h5-11H,12-14H2,1-4H3
InChIKeyHBFDEWKWBGMFOH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.33
Rot. Bonds5

About 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one

5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (PubChem CID 53300745) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
PubChem CID53300745
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one
SMILESCOc1ccc(CN2C(=O)CCC2(C)c2nnnn2-c2c(C)cccc2C)cc1
InChIInChI=1S/C22H25N5O2/c1-15-6-5-7-16(2)20(15)27-21(23-24-25-27)22(3)13-12-19(28)26(22)14-17-8-10-18(29-4)11-9-17/h5-11H,12-14H2,1-4H3
InChIKeyHBFDEWKWBGMFOH-UHFFFAOYSA-N
XLogP3.33
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The IUPAC name of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one (CID 53300745) is 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is COc1ccc(CN2C(=O)CCC2(C)c2nnnn2-c2c(C)cccc2C)cc1.
What is the InChIKey of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
The InChIKey is HBFDEWKWBGMFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-6-5-7-16(2)20(15)27-21(23-24-25-27)22(3)13-12-19(28)26(22)14-17-8-10-18(29-4)11-9-17/h5-11H,12-14H2,1-4H3.
What are the key properties of 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one?
5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one has a molecular weight of 391.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-1-[(4-methoxyphenyl)methyl]-5-methylpyrrolidin-2-one is sourced from PubChem (CID 53300745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).